add first attempt at python library

.circleci/config.yml

@@ -38,6 +38,8 @@ aliases:
 
 jobs:
   unitsTSan:
+    machine:
+      image: ubuntu-2204:2024.01.2
     docker:
       - image: helics/buildenv:sanitizers-14
     environment:
@@ -49,8 +51,10 @@ jobs:
       - run: *run_units
 
   unitsASan:
+    machine:
+      image: ubuntu-2204:2024.11.1
     docker:
-      - image: helics/buildenv:sanitizers-14
+      - image: helics/buildenv:sanitizers-19
     environment:
       CMAKE_FLAGS: '-DCMAKE_CXX_COMPILER=clang++ -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_FLAGS="-fsanitize=undefined,address -lc++ -lc++abi -fsanitize-address-use-after-scope -Wno-unused-command-line-argument -fno-omit-frame-pointer -g -O1  -fsanitize-blacklist=/root/project/.circleci/asan_blacklist.txt"  '
       LSAN_OPTIONS: "suppressions=/root/project/.circleci/leak_suppression.txt"
@@ -62,6 +66,8 @@ jobs:
       - run: *run_units
 
   unitsMSan:
+    machine:
+      image: ubuntu-2204:2022.10.2
     docker:
       - image: helics/buildenv:sanitizers-14
     environment:
@@ -110,9 +116,9 @@ workflows:
   version: 2
   units_test:
     jobs:
-      - unitsMSan
+      #      - unitsMSan
       - unitsASan
-      - unitsTSan
+      #      - unitsTSan
       - unitsInstall
       - unitsInstall-alt
       - unitsFuzz

.github/workflows/coverage.yml

@@ -13,7 +13,7 @@ concurrency:
 jobs:
   coverage:
     name: Coverage
-    runs-on: ubuntu-22.04
+    runs-on: ubuntu-latest
     strategy:
       matrix:
         std: ["11", "14", "17", "20"]
@@ -25,11 +25,11 @@ jobs:
 
       - name: Get LCov
         run: |
-          sudo apt-get install ca-certificates
-          wget https://github.com/linux-test-project/lcov/releases/download/v1.16/lcov-1.16.tar.gz
-          tar -xzf lcov-1.16.tar.gz
-          cd lcov-1.16
-          sudo make install
+          sudo apt-get install ca-certificates lcov
+          #wget https://github.com/linux-test-project/lcov/releases/download/v2.2/lcov-2.2.tar.gz
+          #tar -xzf lcov-2.2.tar.gz
+          #cd lcov-2.2
+          #sudo make install
 
       - name: Configure
         run: |
@@ -54,7 +54,7 @@ jobs:
           lcov --list coverage.info
         working-directory: build
 
-      - uses: codecov/codecov-action@v4
+      - uses: codecov/codecov-action@v5
         with:
           files: build/coverage.info
           fail_ci_if_error: true

.github/workflows/pip.yml

@@ -0,0 +1,38 @@
+name: Pip
+
+on:
+  workflow_dispatch:
+  pull_request:
+  push:
+    branches:
+      - main
+
+jobs:
+  build:
+    name: Build with Pip
+    runs-on: ${{ matrix.platform }}
+    strategy:
+      fail-fast: false
+      matrix:
+        platform: [windows-latest, macos-latest, ubuntu-latest]
+        python-version: ["3.10", "3.12"]
+
+    steps:
+    - uses: actions/checkout@v4
+
+    - uses: actions/setup-python@v5
+      with:
+        python-version: ${{ matrix.python-version }}
+
+    - name: Set min macOS version
+      if: runner.os == 'macOS'
+      run: |
+        echo "MACOSX_DEPLOYMENT_TARGET=11.0" >> $GITHUB_ENV
+
+    - name: Build and install
+      run: |
+        python -m pip install pytest
+        pip install -vv .
+
+    - name: Test
+      run: python -m pytest ./test/python

.github/workflows/wheels.yml

@@ -0,0 +1,80 @@
+name: Wheels
+
+on:
+  workflow_dispatch:
+  pull_request:
+  push:
+    branches:
+     - main
+  release:
+    types:
+      - published
+
+jobs:
+  build_sdist:
+    name: Build SDist
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+      with:
+        submodules: true
+
+    - name: Build SDist
+      run: pipx run build --sdist
+
+    - name: Check metadata
+      run: pipx run twine check dist/*
+
+    - uses: actions/upload-artifact@v4
+      with:
+        name: dist-sdist
+        path: dist/*.tar.gz
+
+
+  build_wheels:
+    name: Wheels on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, macos-14, windows-latest]
+
+    steps:
+    - uses: actions/checkout@v4
+      with:
+        submodules: true
+
+    - uses: pypa/[email protected]
+
+    - name: Verify clean directory
+      run: git diff --exit-code
+      shell: bash
+
+    - name: Upload wheels
+      uses: actions/upload-artifact@v4
+      with:
+        path: wheelhouse/*.whl
+        name: dist-${{ matrix.os }}
+
+  publish-to-testpypi:
+    name: Upload if release
+    needs: [build_wheels, build_sdist]
+    runs-on: ubuntu-latest
+    #if: github.event_name == 'release' && github.event.action == 'published'
+    environment:
+      name: testpypi
+      url: https://test.pypi.org/p/units_llnl
+    permissions:
+      id-token: write  # IMPORTANT: mandatory for trusted publishing
+    steps:
+    - uses: actions/setup-python@v5
+    - uses: actions/download-artifact@v4
+      with:
+        pattern: dist-*
+        merge-multiple: true
+        path: dist/
+
+    - uses: pypa/gh-action-pypi-publish@release/v1
+      with:
+        verbose: true
+        repository-url: https://test.pypi.org/legacy/

.gitignore

@@ -1,2 +1,11 @@
 build*/
-~$.xlsx
+~$*.xlsx
+nanobind_test.egg-info
+_skbuild
+/dist
+__pycache__
+build
+*.pyd
+*.egg-info
+.vscode
+.vs

.pre-commit-config.yaml

@@ -47,7 +47,7 @@ repos:
       - id: end-of-file-fixer
       - id: check-shebang-scripts-are-executable
   - repo: https://github.com/pre-commit/mirrors-clang-format
-    rev: v19.1.3
+    rev: v19.1.4
     hooks:
       - id: clang-format
         types_or: [c++, c]

CMakeLists.txt

@@ -5,11 +5,11 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
-# Make sure users don't get warnings on a tested (3.0 to 3.27) version of CMake. For
+# Make sure users don't get warnings on a tested (3.0 to 3.31) version of CMake. For
 # most of the policies, the new version is better (hence the change). We don't use the
 # 3.0...3.17 syntax because of a bug in an older MSVC's built-in and modified CMake 3.11
-if(${CMAKE_VERSION} VERSION_GREATER 3.20)
-    cmake_minimum_required(VERSION 3.20...3.30)
+if(${CMAKE_VERSION} VERSION_GREATER 3.22)
+    cmake_minimum_required(VERSION 3.22...3.31)
 else()
     cmake_minimum_required(VERSION 3.0)
     cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION})
@@ -23,7 +23,7 @@ endif()
 project(
     ${UNITS_CMAKE_PROJECT_NAME}
     LANGUAGES C CXX
-    VERSION 0.9.2
+    VERSION 0.10.0
 )
 include(CMakeDependentOption)
 include(CTest)
@@ -108,6 +108,11 @@ cmake_dependent_option(
     UNITS_CLANG_TIDY "Look for and use Clang-Tidy" OFF
     "CMAKE_PROJECT_NAME STREQUAL PROJECT_NAME;NOT CMAKE_VERSION VERSION_LESS 3.6" OFF
 )
+
+cmake_dependent_option(
+    UNITS_BUILD_PYTHON_LIBRARY "Build the simplified python library" OFF
+    "CMAKE_PROJECT_NAME STREQUAL PROJECT_NAME" OFF
+)
 set(UNITS_CLANG_TIDY_OPTIONS
     ""
     CACHE STRING "Clang tidy options, such as -fix, semicolon separated"
@@ -219,12 +224,52 @@ elseif(UNITS_ENABLE_TESTS)
     message(WARNING "UNITS unit tests only supported under cmake 3.13 or greater")
 endif()
 
-if(NOT UNITS_HEADER_ONLY AND NOT UNITS_BUILD_FUZZ_TARGETS)
+if(NOT UNITS_HEADER_ONLY
+   AND NOT UNITS_BUILD_FUZZ_TARGETS
+   AND NOT SKBUILD
+)
     add_subdirectory(webserver)
     add_subdirectory(converter)
 endif()
 
-if(UNITS_INSTALL)
+if(NOT UNITS_HEADER_ONLY AND UNITS_BUILD_PYTHON_LIBRARY)
+    message(STATUS "building the python library")
+
+    find_package(
+        Python 3.10 REQUIRED
+        COMPONENTS Interpreter Development.Module
+        OPTIONAL_COMPONENTS Development.SABIModule
+    )
+
+    if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES)
+        set(CMAKE_BUILD_TYPE
+            Release
+            CACHE STRING "Choose the type of build." FORCE
+        )
+        set_property(
+            CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "Debug" "Release" "MinSizeRel"
+                                            "RelWithDebInfo"
+        )
+    endif()
+
+    # Detect the installed nanobind package and import it into CMake
+    execute_process(
+        COMMAND "${Python_EXECUTABLE}" -m nanobind --cmake_dir
+        OUTPUT_STRIP_TRAILING_WHITESPACE
+        OUTPUT_VARIABLE nanobind_ROOT
+    )
+    find_package(nanobind CONFIG REQUIRED)
+
+    nanobind_add_module(units_llnl_ext NB_STATIC STABLE_ABI python/units_python.cpp)
+
+    target_link_libraries(units_llnl_ext PRIVATE units::units)
+
+    # Install directive for scikit-build-core
+    install(TARGETS units_llnl_ext LIBRARY DESTINATION units_llnl)
+
+endif()
+
+if(UNITS_INSTALL AND NOT SKBUILD)
     if(UNITS_BUILD_STATIC_LIBRARY)
         install(TARGETS compile_flags_target ${UNITS_LIBRARY_EXPORT_COMMAND})
     endif()